Author: bugman
Date: Fri Feb 6 17:35:10 2009
New Revision: 8753
URL: http://svn.gna.org/viewcvs/relax?rev=8753&view=rev
Log:
Generated and added the synthetic RDC data.
Added:
1.3/test_suite/shared_data/align_data/CaM/synth_rdc
Modified:
1.3/test_suite/shared_data/align_data/CaM/generate_data.py
Modified: 1.3/test_suite/shared_data/align_data/CaM/generate_data.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/generate_data.py?rev=8753&r1=8752&r2=8753&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/generate_data.py (original)
+++ 1.3/test_suite/shared_data/align_data/CaM/generate_data.py Fri Feb 6
17:35:10 2009
@@ -67,7 +67,7 @@
structure.vectors('H', spin_id='@N')
# Loop over the N spins.
-rdc_file = open('rdc', 'w')
+rdc_file = open('synth_rdc', 'w')
for spin, mol, res_num, res_name in spin_loop(selection='@N',
full_info=True):
# Skip spins without vectors.
if not hasattr(spin, 'xh_vect'):
Added: 1.3/test_suite/shared_data/align_data/CaM/synth_rdc
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/align_data/CaM/synth_rdc?rev=8753&view=auto
==============================================================================
--- 1.3/test_suite/shared_data/align_data/CaM/synth_rdc (added)
+++ 1.3/test_suite/shared_data/align_data/CaM/synth_rdc Fri Feb 6 17:35:10
2009
@@ -1,0 +1,66 @@
+bax_C_1J7P_N_H_Ca_mol1 83 GLU 15 N
11.89830919169
+bax_C_1J7P_N_H_Ca_mol1 84 GLU 30 N
28.30586961461
+bax_C_1J7P_N_H_Ca_mol1 85 ILE 45 N
14.96399570266
+bax_C_1J7P_N_H_Ca_mol1 86 ARG 64 N
8.60513179837
+bax_C_1J7P_N_H_Ca_mol1 87 GLU 88 N
19.88462027963
+bax_C_1J7P_N_H_Ca_mol1 88 ALA 103 N
27.95550801810
+bax_C_1J7P_N_H_Ca_mol1 89 PHE 113 N
9.85240693218
+bax_C_1J7P_N_H_Ca_mol1 90 ARG 133 N
8.65406839274
+bax_C_1J7P_N_H_Ca_mol1 91 VAL 157 N
31.37010144009
+bax_C_1J7P_N_H_Ca_mol1 92 PHE 173 N
22.67438054217
+bax_C_1J7P_N_H_Ca_mol1 93 ASP 193 N
1.87263690321
+bax_C_1J7P_N_H_Ca_mol1 94 LYS 205 N
-23.13030385252
+bax_C_1J7P_N_H_Ca_mol1 95 ASP 227 N
-5.39071286802
+bax_C_1J7P_N_H_Ca_mol1 96 GLY 239 N
-5.47781920250
+bax_C_1J7P_N_H_Ca_mol1 97 ASN 246 N
-18.56381126815
+bax_C_1J7P_N_H_Ca_mol1 98 GLY 260 N
-1.30046845405
+bax_C_1J7P_N_H_Ca_mol1 99 TYR 267 N
30.28973788851
+bax_C_1J7P_N_H_Ca_mol1 100 ILE 286 N
29.40039651376
+bax_C_1J7P_N_H_Ca_mol1 101 SER 305 N
4.06610947355
+bax_C_1J7P_N_H_Ca_mol1 102 ALA 316 N
-3.03666621929
+bax_C_1J7P_N_H_Ca_mol1 103 ALA 326 N
0.12101642920
+bax_C_1J7P_N_H_Ca_mol1 104 GLU 336 N
-3.97609800045
+bax_C_1J7P_N_H_Ca_mol1 105 LEU 351 N
-5.85574990077
+bax_C_1J7P_N_H_Ca_mol1 106 ARG 370 N
2.16696102558
+bax_C_1J7P_N_H_Ca_mol1 107 HIS 394 N
-6.04317438176
+bax_C_1J7P_N_H_Ca_mol1 108 VAL 411 N
-4.45216079626
+bax_C_1J7P_N_H_Ca_mol1 109 MET 427 N
-2.20704298901
+bax_C_1J7P_N_H_Ca_mol1 110 THR 444 N
1.52029645937
+bax_C_1J7P_N_H_Ca_mol1 111 ASN 458 N
-7.21353309308
+bax_C_1J7P_N_H_Ca_mol1 112 LEU 472 N
-4.44603841486
+bax_C_1J7P_N_H_Ca_mol1 113 GLY 491 N
24.32916708551
+bax_C_1J7P_N_H_Ca_mol1 114 GLU 498 N
-19.26985407086
+bax_C_1J7P_N_H_Ca_mol1 115 LYS 513 N
4.96896615243
+bax_C_1J7P_N_H_Ca_mol1 116 LEU 535 N
-12.36177914022
+bax_C_1J7P_N_H_Ca_mol1 117 THR 554 N
27.85629058787
+bax_C_1J7P_N_H_Ca_mol1 118 ASP 568 N
5.37571392680
+bax_C_1J7P_N_H_Ca_mol1 119 GLU 580 N
-10.00385730346
+bax_C_1J7P_N_H_Ca_mol1 120 GLU 595 N
8.67371376258
+bax_C_1J7P_N_H_Ca_mol1 121 VAL 610 N
13.35249322586
+bax_C_1J7P_N_H_Ca_mol1 122 ASP 626 N
-9.97518445174
+bax_C_1J7P_N_H_Ca_mol1 123 GLU 638 N
-4.97964752131
+bax_C_1J7P_N_H_Ca_mol1 124 MET 653 N
8.28254772475
+bax_C_1J7P_N_H_Ca_mol1 125 ILE 670 N
-4.43646599672
+bax_C_1J7P_N_H_Ca_mol1 126 ARG 689 N
-11.72384586227
+bax_C_1J7P_N_H_Ca_mol1 127 GLU 713 N
1.53470374113
+bax_C_1J7P_N_H_Ca_mol1 128 ALA 728 N
8.11109525199
+bax_C_1J7P_N_H_Ca_mol1 129 ASP 738 N
-24.67513357044
+bax_C_1J7P_N_H_Ca_mol1 130 ILE 750 N
-23.13939224259
+bax_C_1J7P_N_H_Ca_mol1 131 ASP 769 N
-3.53254101307
+bax_C_1J7P_N_H_Ca_mol1 132 GLY 781 N
9.14070770606
+bax_C_1J7P_N_H_Ca_mol1 133 ASP 788 N
6.06716337955
+bax_C_1J7P_N_H_Ca_mol1 134 GLY 800 N
34.18322887354
+bax_C_1J7P_N_H_Ca_mol1 135 GLN 807 N
5.99282742216
+bax_C_1J7P_N_H_Ca_mol1 136 VAL 824 N
16.52137302331
+bax_C_1J7P_N_H_Ca_mol1 137 ASN 840 N
9.92569377667
+bax_C_1J7P_N_H_Ca_mol1 138 TYR 854 N
8.20390811005
+bax_C_1J7P_N_H_Ca_mol1 139 GLU 873 N
11.23703063080
+bax_C_1J7P_N_H_Ca_mol1 140 GLU 888 N
23.13999442598
+bax_C_1J7P_N_H_Ca_mol1 141 PHE 903 N
5.37490135641
+bax_C_1J7P_N_H_Ca_mol1 142 VAL 923 N
0.90368261324
+bax_C_1J7P_N_H_Ca_mol1 143 GLN 939 N
9.50256930008
+bax_C_1J7P_N_H_Ca_mol1 144 MET 956 N
14.87714715497
+bax_C_1J7P_N_H_Ca_mol1 145 MET 973 N
-4.84492366401
+bax_C_1J7P_N_H_Ca_mol1 146 THR 990 N
7.74541622099
+bax_C_1J7P_N_H_Ca_mol1 147 ALA 1004 N
14.54129620553
+bax_C_1J7P_N_H_Ca_mol1 148 LYS 1014 N
-6.79467222155
r8753 - in /1.3/test_suite/shared_data/align_data/CaM: generate_data.py synth_rdc